SCHEMBL18745976

SCHEMBL18745976

Nc1ccc(C(=O)Nc2ccc(Nc3ccc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
LMNA P02545 3/20 0.55
PKM P14618 3/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 2/20 0.55
APEX1 P27695 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 5/20 0.54
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MCL1 Q07820 2/20 0.52
USP2 O75604 1/20 0.52
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 3/20 0.51
MAPK1 P28482 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALOX15 P16050 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1664311 1.00 KMT2A (0.55) KMT2ALMNAPKMPOLBMEN1
SCHEMBL8769706 0.94 RAB9A (0.58) KMT2ALMNAPKMMEN1MAPT
SCHEMBL1663365 0.89 KMT2A (0.55) KMT2ALMNAPKMPOLBMEN1
SCHEMBL21254928 0.88 RAB9A (0.55) KMT2ALMNAPKMMEN1MAPT
SCHEMBL8770684 0.86 KMT2A (0.52) KMT2ALMNAPKMMEN1MAPT
SCHEMBL1663377 0.86 HPGDS (0.55) KMT2ALMNAPKMPOLBMEN1
SCHEMBL1663107 0.86 SMYD3 (0.55) KMT2ALMNAPKMMEN1MAPT
SCHEMBL1663591 0.86 NPC1 (0.48) KMT2ALMNAPKMPOLBMEN1
SCHEMBL1664469 0.85 RAB9A (0.58) KMT2ALMNAPKMMEN1MAPT
SCHEMBL21254499 0.85 RAB9A (0.50) KMT2ALMNAPKMMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed